General Information of the Compound
| Compound ID |
CP0484406
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| Compound Name |
2-cyclohexyl-N-[1-[(E)-3-(5-methylpyridin-3-yl)prop-2-enoyl]piperidin-4-yl]-2-phenylacetamide
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| Structure |
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| Formula |
C28H35N3O2
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| Molecular Weight |
445.607
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| Canonical SMILES |
Cc1cncc(\C=C\C(=O)N2CCC(CC2)NC(=O)C(C2CCCCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C28H35N3O2/c1-21-18-22(20-29-19-21)12-13-26(32)31-16-14-25(15-17-31)30-28(33)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2,4-5,8-9,12-13,18-20,24-25,27H,3,6-7,10-11,14-17H2,1H3,(H,30,33)/b13-12+
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| InChIKey |
UDTUOBVREMCEKC-OUKQBFOZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound